4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline

C13H13ClN4O2 — CID 172611534

IUPAC4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline
SMILESCOc1cc(N)cc(OC)c1/N=N/c1ccnc(Cl)c1
InChIInChI=1S/C13H13ClN4O2/c1-19-10-5-8(15)6-11(20-2)13(10)18-17-9-3-4-16-12(14)7-9/h3-7H,15H2,1-2H3/b18-17+
InChIKeyHSAUMSSNNHSCNT-ISLYRVAYSA-N
MW292.73 g/mol
LogP3.75
Rot. Bonds4

About 4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline

4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline (PubChem CID 172611534) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline.

Molecular Properties

Compound Name4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline
PubChem CID172611534
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline
SMILESCOc1cc(N)cc(OC)c1/N=N/c1ccnc(Cl)c1
InChIInChI=1S/C13H13ClN4O2/c1-19-10-5-8(15)6-11(20-2)13(10)18-17-9-3-4-16-12(14)7-9/h3-7H,15H2,1-2H3/b18-17+
InChIKeyHSAUMSSNNHSCNT-ISLYRVAYSA-N
XLogP3.75
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-(2H-benzotriazol-5-yldiazenyl)-3,5-dimethoxyaniline
CID 58747536
2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine
CID 18674967
2-chloro-4-(2-methoxyphenoxy)pyridine
CID 63777956
4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline
CID 118049560
3-bromo-4-(6-chloropyrimidin-4-yl)oxy-5-methoxyaniline
CID 88536866
4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171993
4-(4-chloroimidazol-1-yl)-3-methoxyaniline
CID 58075757
4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline
CID 86641686
3-(4-aminophenyl)-4-methoxypyridin-2-amine
CID 86700075
2-[(2-chloro-4-pyridinyl)methoxy]aniline
CID 62469846
2-chloro-4-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 113341586
N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine
CID 102824089

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline?
The IUPAC name of 4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline (CID 172611534) is 4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline.
What is the SMILES notation for 4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline?
The canonical SMILES for 4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline is COc1cc(N)cc(OC)c1/N=N/c1ccnc(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline?
The InChIKey is HSAUMSSNNHSCNT-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-19-10-5-8(15)6-11(20-2)13(10)18-17-9-3-4-16-12(14)7-9/h3-7H,15H2,1-2H3/b18-17+.
What are the key properties of 4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline?
4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline has a molecular weight of 292.73 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-pyridinyl)diazenyl]-3,5-dimethoxyaniline is sourced from PubChem (CID 172611534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).